A graph theoretical approach to the elucidation of reaction mechanisms: Analysis of the chlorine electrode reaction
A methodology and algorithm are proposed in this work to conceive a limited set of dependent elementary reaction steps for a reaction mechanism by exploiting the reaction route (RR) graph of the mechanism. These steps are constrained by the conservation principles and must be subjected to thermodyna...
| Main Authors: | , , , |
|---|---|
| Format: | Journal Article |
| Published: |
Elsevier
2013
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/45200 |